methyl N-[[4-[[5-cyclopropyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]phenyl]methyl]-N-methylcarbamate

C23H25N5O3 — CID 86965087

IUPACmethyl N-[[4-[[5-cyclopropyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]phenyl]methyl]-N-methylcarbamate
SMILESCOC(=O)N(C)Cc1ccc(NC(=O)c2nnn(-c3ccc(C)cc3)c2C2CC2)cc1
InChIInChI=1S/C23H25N5O3/c1-15-4-12-19(13-5-15)28-21(17-8-9-17)20(25-26-28)22(29)24-18-10-6-16(7-11-18)14-27(2)23(30)31-3/h4-7,10-13,17H,8-9,14H2,1-3H3,(H,24,29)
InChIKeyLBSZMFQFLWIAJS-UHFFFAOYSA-N
MW419.49 g/mol
LogP3.90
Rot. Bonds6

About methyl N-[[4-[[5-cyclopropyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]phenyl]methyl]-N-methylcarbamate

methyl N-[[4-[[5-cyclopropyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]phenyl]methyl]-N-methylcarbamate (PubChem CID 86965087) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is methyl N-[[4-[[5-cyclopropyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]phenyl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[[4-[[5-cyclopropyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]phenyl]methyl]-N-methylcarbamate
PubChem CID86965087
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Namemethyl N-[[4-[[5-cyclopropyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]phenyl]methyl]-N-methylcarbamate
SMILESCOC(=O)N(C)Cc1ccc(NC(=O)c2nnn(-c3ccc(C)cc3)c2C2CC2)cc1
InChIInChI=1S/C23H25N5O3/c1-15-4-12-19(13-5-15)28-21(17-8-9-17)20(25-26-28)22(29)24-18-10-6-16(7-11-18)14-27(2)23(30)31-3/h4-7,10-13,17H,8-9,14H2,1-3H3,(H,24,29)
InChIKeyLBSZMFQFLWIAJS-UHFFFAOYSA-N
XLogP3.90
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl N-[[4-[[5-cyclopropyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]phenyl]methyl]-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-cyclopropyl-N-[4-(dipropylcarbamoyl)phenyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 86874499
5-cyclopropyl-1-(4-methylphenyl)-N-[4-(pyridin-3-ylmethoxy)phenyl]triazole-4-carboxamide
CID 86887909
N-[2-[benzyl(methyl)amino]propyl]-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 86934070
N-(2-cycloheptyloxyethyl)-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 86972051
5-cyclopropyl-1-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)triazole-4-carboxamide
CID 71881070
5-cyclopropyl-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]triazole-4-carboxamide
CID 86874503
N-[(4-bromo-3-fluorophenyl)methyl]-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 86874598
5-cyclopropyl-1-(4-methylphenyl)-N'-pyrimidin-2-yltriazole-4-carbohydrazide
CID 172994889
N-[4-(1H-benzimidazol-2-yl)phenyl]-5-cyclopropyl-1-phenyltriazole-4-carboxamide
CID 166193644
N-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 2150259
5-cyclopropyl-1-(4-propylphenyl)triazole-4-carboxylic acid
CID 43325185
N-(1,3-benzodioxol-5-yl)-5-cyclopropyl-N-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 99714382

Frequently Asked Questions

What is the IUPAC name of methyl N-[[4-[[5-cyclopropyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]phenyl]methyl]-N-methylcarbamate?
The IUPAC name of methyl N-[[4-[[5-cyclopropyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]phenyl]methyl]-N-methylcarbamate (CID 86965087) is methyl N-[[4-[[5-cyclopropyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]phenyl]methyl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[[4-[[5-cyclopropyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]phenyl]methyl]-N-methylcarbamate?
The canonical SMILES for methyl N-[[4-[[5-cyclopropyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]phenyl]methyl]-N-methylcarbamate is COC(=O)N(C)Cc1ccc(NC(=O)c2nnn(-c3ccc(C)cc3)c2C2CC2)cc1.
What is the InChIKey of methyl N-[[4-[[5-cyclopropyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]phenyl]methyl]-N-methylcarbamate?
The InChIKey is LBSZMFQFLWIAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-15-4-12-19(13-5-15)28-21(17-8-9-17)20(25-26-28)22(29)24-18-10-6-16(7-11-18)14-27(2)23(30)31-3/h4-7,10-13,17H,8-9,14H2,1-3H3,(H,24,29).
What are the key properties of methyl N-[[4-[[5-cyclopropyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]phenyl]methyl]-N-methylcarbamate?
methyl N-[[4-[[5-cyclopropyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]phenyl]methyl]-N-methylcarbamate has a molecular weight of 419.49 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[4-[[5-cyclopropyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]phenyl]methyl]-N-methylcarbamate is sourced from PubChem (CID 86965087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).